Geometry & MOs

Info

ID:	447679
PubChem CID:	135284744
Reduced:	BrNO3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	327.04701
ΔH_f, kcal/mol:	-108.17
Dipole, Da:	4.62
IP(EA), eV:	-9.12(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-5-(4-bromophenoxy)-2,4-dimethylpent-4-en-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(=C)CC(C)(COC1=CC=C(C=C1)Br)NC(=O)O

DOS

IR

Vibrations